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#743 Vertex Adjacency Magnitude

Accepted
closed
nobody
None
master
1
2014-04-06
2014-02-11
SBeisken
No

The Vertex Adjacency Magnitude descriptor requires the number of heavy atom - heavy atom bonds as input. The current incorrect calculation retrieves the number of heavy atoms instead. Correct bond number estimation and test cases have been added based examples from MOE.

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Discussion

    • status: open --> closed
    • Group: Needs_Review --> Accepted
     
  • Looks good to me. I would have appreciated some pointers for me to see the correctness of the misinterpretation of the implementation before, but then again, I should just have read the paper...

    Accepted and pushed.